(Z)-4-chloro-N-(1-cyanocyclopropyl)-3-ethyloct-3-enamide

C14H21ClN2O — CID 138653989

IUPAC(Z)-4-chloro-N-(1-cyanocyclopropyl)-3-ethyloct-3-enamide
SMILESCCCC/C(Cl)=C(\CC)CC(=O)NC1(C#N)CC1
InChIInChI=1S/C14H21ClN2O/c1-3-5-6-12(15)11(4-2)9-13(18)17-14(10-16)7-8-14/h3-9H2,1-2H3,(H,17,18)/b12-11-
InChIKeySDZDUIDDHKNQIP-QXMHVHEDSA-N
MW268.79 g/mol
LogP3.64
Rot. Bonds7

About (Z)-4-chloro-N-(1-cyanocyclopropyl)-3-ethyloct-3-enamide

(Z)-4-chloro-N-(1-cyanocyclopropyl)-3-ethyloct-3-enamide (PubChem CID 138653989) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (Z)-4-chloro-N-(1-cyanocyclopropyl)-3-ethyloct-3-enamide.

Molecular Properties

Compound Name(Z)-4-chloro-N-(1-cyanocyclopropyl)-3-ethyloct-3-enamide
PubChem CID138653989
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(Z)-4-chloro-N-(1-cyanocyclopropyl)-3-ethyloct-3-enamide
SMILESCCCC/C(Cl)=C(\CC)CC(=O)NC1(C#N)CC1
InChIInChI=1S/C14H21ClN2O/c1-3-5-6-12(15)11(4-2)9-13(18)17-14(10-16)7-8-14/h3-9H2,1-2H3,(H,17,18)/b12-11-
InChIKeySDZDUIDDHKNQIP-QXMHVHEDSA-N
XLogP3.64
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanocyclooctyl)hexanamide
CID 54904747
N-(1-cyanocyclooctyl)octanamide
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CID 55029198
N-(4-cyano-1-methylpiperidin-4-yl)hexanamide
CID 54904452
2-cyano-N-(1-cyanocyclopropyl)acetamide
CID 131036144
3-butylsulfanyl-N-(4-cyano-1-methylpiperidin-4-yl)propanamide
CID 71874736
2,2-dichloro-N-(1-cyanocyclopropyl)butanamide
CID 57037383
N-(1-cyanocyclopropyl)-4-fluoro-4-methylpentanamide;2,2,2-trifluoroacetic acid
CID 175785899
N-(1-cyanocyclooctyl)-4-methoxybutanamide
CID 112731248
N-(1-cyanocycloheptyl)-3-ethoxypropanamide
CID 62591017
N-(1-cyanocyclooctyl)-3-methylsulfanylpropanamide
CID 60968545
N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide
CID 60516717

Frequently Asked Questions

What is the IUPAC name of (Z)-4-chloro-N-(1-cyanocyclopropyl)-3-ethyloct-3-enamide?
The IUPAC name of (Z)-4-chloro-N-(1-cyanocyclopropyl)-3-ethyloct-3-enamide (CID 138653989) is (Z)-4-chloro-N-(1-cyanocyclopropyl)-3-ethyloct-3-enamide.
What is the SMILES notation for (Z)-4-chloro-N-(1-cyanocyclopropyl)-3-ethyloct-3-enamide?
The canonical SMILES for (Z)-4-chloro-N-(1-cyanocyclopropyl)-3-ethyloct-3-enamide is CCCC/C(Cl)=C(\CC)CC(=O)NC1(C#N)CC1.
What is the InChIKey of (Z)-4-chloro-N-(1-cyanocyclopropyl)-3-ethyloct-3-enamide?
The InChIKey is SDZDUIDDHKNQIP-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-5-6-12(15)11(4-2)9-13(18)17-14(10-16)7-8-14/h3-9H2,1-2H3,(H,17,18)/b12-11-.
What are the key properties of (Z)-4-chloro-N-(1-cyanocyclopropyl)-3-ethyloct-3-enamide?
(Z)-4-chloro-N-(1-cyanocyclopropyl)-3-ethyloct-3-enamide has a molecular weight of 268.79 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-chloro-N-(1-cyanocyclopropyl)-3-ethyloct-3-enamide is sourced from PubChem (CID 138653989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).